CFam Chemical Families Database
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You are searching for "CFAMM00430752" in compound.

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CFAM Mol ID CFAMM00430752
Family CFFBM14865 Mu-type opioid receptor and Kappa-type opioid receptor ligand 1-[[(3S)-2-[[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-phenylurea family
Superfamily CFSBM5518 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily 10
Class CFCCD537 Class 1350
External ID CHEMBL288468 External Source CHEMBL
PubChem CID 44286720 Functional Category Bioactive
Molecule Name 1-[[(3S)-2-[[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-phenylurea
IUPAC Name 1-[[(3S)-2-[[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methylcarbamothioyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-phenylurea
Synonyms CHEBI:158558
InChi InChI=1S/C32H39N5O3S/c1-39-29-16-8-12-25(30(29)40-2)21-36-17-9-15-27(36)19-34-32(41)37-22-24-11-7-6-10-23(24)18-28(37)20-33-31(38)35-26-13-4-3-5-14-26/h3-8,10-14,16,27-28H,9,15,17-22H2,1-2H3,(H,34,41)(H2,33,35,38)/t27-,28+/m1/s1
InChiKey AKLJLFUKFIPLSF-IZLXSDGUSA-N
Formula C32H39N5O3S Molecular Weight 573.75
Cross Link CHEMBL288468
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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